四氯对苯醌
TL;DR: 四氯对苯醌 (CAS 118-75-2) is a chemical compound with molecular formula C6Cl4O2 and molecular weight 243.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
四氯对苯醌
2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione
Also Known As: Chloranil, p-Chloranil, Spergon, Tetrachloro-p-benzoquinone, Vulklor
| Molecular Formula | C6Cl4O2 |
|---|---|
| Molecular Weight | 243.87 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 245.86229 |
| Heavy Atoms | 12 |
| Complexity | 277.0 |
| Melting Point | 288.9 °C (decomposes) |
| Boiling Point | Sublimes |
| Density | 1.97 |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Vapor Pressure | 0 mmHg at 20.0 °C approximately |
Chemical Identifiers
| CAS Number | 118-75-2 |
|---|---|
| SMILES | C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl |
| InChIKey | UGNWTBMOAKPKBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
四氯对苯醌 (CAS 118-75-2), with molecular formula C6Cl4O2 and molecular weight 243.87 g/mol. IUPAC: 2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 四氯对苯醌
Property Insights of 四氯对苯醌
The XLogP value of 3.4 indicates that 四氯对苯醌 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 四氯对苯醌 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 四氯对苯醌 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 四氯对苯醌?
The CAS number of 四氯对苯醌 is 118-75-2.
What is the molecular formula of 四氯对苯醌?
The molecular formula of 四氯对苯醌 is C6Cl4O2.
What is the molecular weight of 四氯对苯醌?
The molecular weight of 四氯对苯醌 is 243.87 g/mol.
Where can I buy 四氯对苯醌?
You can request a quote for 四氯对苯醌 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 四氯对苯醌?
Yes, KEHONG BIO provides custom synthesis services for 四氯对苯醌 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.